SCHEMBL2093802

SCHEMBL2093802

CCC[N]c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ADRA2A P08913 3/20 0.31
KIF11 P52732 1/20 0.31
ELANE P08246 1/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C19 P33261 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HTR2A P28223 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26746 0.73 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KIF11ELANE
Alcohol SCHEMBL28244815 0.72 PPARA (0.44) SLC6A2SLC6A4SLC6A3KIF11PPARA
SCHEMBL27334114 0.71 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3KIF11ELANE
SCHEMBL27712194 0.71 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KIF11ELANE
SCHEMBL8750708 0.70 TDP1 (0.40) NOS3NOS1NOS2ADRA2ACYP2C9
SCHEMBL12052125 0.69 LTA4H (0.53) CYP1A2CYP2C9CYP19A1CYP2C19CYP3A4
SCHEMBL15762203 0.69 LTA4H (0.52) CYP1A2CYP2C9CYP2C19ACACB
SCHEMBL91178 0.69 THRB (0.46) PPARAPPARGACACB
SCHEMBL24575665 0.69 TSHR (0.36) SLC6A2SLC6A4SLC6A3KIF11PPARA
SCHEMBL1126574 0.69 SMN1; SMN2 (0.42) PPARAPPARGCYP2C19TSHRACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NOS3 1031/4885NOS1 882/4885NOS2 654/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.